propan-2-yl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxoundecylamino)-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(undecanoylamino)thiophene-2-carboxylic acid isopropyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N

Isomeric SMILES

CCCCCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N

InChI

InChI=1S/C21H32N2O3S/c1-5-6-7-8-9-10-11-12-13-18(24)23-20-17(14-22)16(4)19(27-20)21(25)26-15(2)3/h15H,5-13H2,1-4H3,(H,23,24)